N-[3-[(butylsulfonylamino)methyl]phenyl]pyridine-4-carboxamide

C17H21N3O3S — CID 47070233

IUPACN-[3-[(butylsulfonylamino)methyl]phenyl]pyridine-4-carboxamide
SMILESCCCCS(=O)(=O)NCc1cccc(NC(=O)c2ccncc2)c1
InChIInChI=1S/C17H21N3O3S/c1-2-3-11-24(22,23)19-13-14-5-4-6-16(12-14)20-17(21)15-7-9-18-10-8-15/h4-10,12,19H,2-3,11,13H2,1H3,(H,20,21)
InChIKeySQPPTPBHGHFLJE-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.55
Rot. Bonds8

About N-[3-[(butylsulfonylamino)methyl]phenyl]pyridine-4-carboxamide

N-[3-[(butylsulfonylamino)methyl]phenyl]pyridine-4-carboxamide (PubChem CID 47070233) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is N-[3-[(butylsulfonylamino)methyl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[(butylsulfonylamino)methyl]phenyl]pyridine-4-carboxamide
PubChem CID47070233
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC NameN-[3-[(butylsulfonylamino)methyl]phenyl]pyridine-4-carboxamide
SMILESCCCCS(=O)(=O)NCc1cccc(NC(=O)c2ccncc2)c1
InChIInChI=1S/C17H21N3O3S/c1-2-3-11-24(22,23)19-13-14-5-4-6-16(12-14)20-17(21)15-7-9-18-10-8-15/h4-10,12,19H,2-3,11,13H2,1H3,(H,20,21)
InChIKeySQPPTPBHGHFLJE-UHFFFAOYSA-N
XLogP2.55
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(benzamidomethyl)phenyl]pyridine-4-carboxamide
CID 166187411
N-[3-(ethylaminomethyl)phenyl]-4-(propylsulfonylamino)benzamide;hydrochloride
CID 119438206
N-[3-[[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 55903591
N-[3-[(pyridine-4-carbonylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926411
butyl 3-(pyridine-4-carbonylamino)benzoate
CID 19171649
N-[3-[[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]methyl]phenyl]pyridine-4-carboxamide
CID 55954642
N-[3-[[[2-(4-chlorophenyl)acetyl]amino]methyl]phenyl]pyridine-4-carboxamide
CID 47064649
N-[3-[[(5-methylthiophene-2-carbonyl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 55904354
N-[3-[[(2-ethoxybenzoyl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 47064652
N-[3-[(4-aminopentanoylamino)methyl]phenyl]pyridine-4-carboxamide;dihydrochloride
CID 120564934
N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]-3-(propylsulfonylamino)benzamide
CID 55946962
N-[3-[[(5-nitrofuran-2-carbonyl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 60540832

Frequently Asked Questions

What is the IUPAC name of N-[3-[(butylsulfonylamino)methyl]phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[3-[(butylsulfonylamino)methyl]phenyl]pyridine-4-carboxamide (CID 47070233) is N-[3-[(butylsulfonylamino)methyl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-[(butylsulfonylamino)methyl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[3-[(butylsulfonylamino)methyl]phenyl]pyridine-4-carboxamide is CCCCS(=O)(=O)NCc1cccc(NC(=O)c2ccncc2)c1.
What is the InChIKey of N-[3-[(butylsulfonylamino)methyl]phenyl]pyridine-4-carboxamide?
The InChIKey is SQPPTPBHGHFLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-2-3-11-24(22,23)19-13-14-5-4-6-16(12-14)20-17(21)15-7-9-18-10-8-15/h4-10,12,19H,2-3,11,13H2,1H3,(H,20,21).
What are the key properties of N-[3-[(butylsulfonylamino)methyl]phenyl]pyridine-4-carboxamide?
N-[3-[(butylsulfonylamino)methyl]phenyl]pyridine-4-carboxamide has a molecular weight of 347.44 g/mol, XLogP of 2.55, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(butylsulfonylamino)methyl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 47070233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).